6-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine

• ChemBase ID: 267536
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: n1c(NCC2CNCC2)cccc1C
• Canonical SMILES: Cc1cccc(n1)NCC1CNCC1
• InChI: InChI=1S/C11H17N3/c1-9-3-2-4-11(14-9)13-8-10-5-6-12-7-10/h2-4,10,12H,5-8H2,1H3,(H,13,14)
• InChIKey: GOGVDMSQODUATE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
• IUPAC Traditional name: 6-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
• Synonyms: 6-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine

Database IDs

• MDL Number: MFCD17167115
• PubChem SID: 164323446
• PubChem CID: 50987750

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.219857
• LogD (pH = 7.4): -2.7577555
• Log P: 0.6555262
• Molar Refractivity: 59.2745 cm^3
• Polarizability: 22.346401 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.287

Product Information

• Purity: 95%